UCSF

ZINC37300541

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 No

Popular Name: 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[4-(3-methoxyphenyl)piperazin…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.02 -38.42 3 5 1 56 305.427 4 ↓
Mid Mid (pH 6-8) 2.14 3.78 -8.56 2 5 0 55 304.419 4 ↓
Mid Mid (pH 6-8) 2.14 6.12 -105.73 4 5 2 57 306.435 4 ↓
Mid Mid (pH 6-8) 2.14 3.91 -31.88 3 5 1 56 305.427 4 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.